Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802009273/dn6031sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536802009273/dn6031Isup2.hkl |
CCDC reference: 189308
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.012 Å
- R factor = 0.044
- wR factor = 0.102
- Data-to-parameter ratio = 8.3
checkCIF results
No syntax errors found ADDSYM reports no extra symmetry General Notes
REFLT_03 From the CIF: _diffrn_reflns_theta_max 25.96 From the CIF: _reflns_number_total 2905 Count of symmetry unique reflns 2905 Completeness (_total/calc) 100.00% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present yes WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure
Data collection: CAD-4-PC Software (Enraf-Nonius, 1992); cell refinement: CAD-4-PC Software; data reduction: XCAD4 (Harms, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
(C8H20N)[FeCl2(C18H10N4O2)] | F(000) = 662 |
Mr = 642.20 | Dx = 1.516 Mg m−3 |
Monoclinic, P21 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2yb | Cell parameters from 25 reflections |
a = 8.752 (2) Å | θ = 7.7–13.9° |
b = 10.473 (2) Å | µ = 0.95 mm−1 |
c = 15.685 (3) Å | T = 298 K |
β = 101.94 (2)° | Block, dark green |
V = 1406.6 (5) Å3 | 0.20 × 0.15 × 0.10 mm |
Z = 2 |
Enraf-Nonius MACH-3 diffractometer | Rint = 0.034 |
Radiation source: fine-focus sealed tube | θmax = 26.0°, θmin = 2.4° |
Graphite monochromator | h = 0→10 |
ω–2θ scans | k = 0→12 |
3094 measured reflections | l = −19→18 |
2905 independent reflections | 3 standard reflections every 60 min |
1907 reflections with I > 2σ(I) | intensity decay: none |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.044 | H-atom parameters constrained |
wR(F2) = 0.102 | w = 1/[σ2(Fo2) + (0.0446P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.03 | (Δ/σ)max < 0.001 |
2905 reflections | Δρmax = 0.35 e Å−3 |
348 parameters | Δρmin = −0.48 e Å−3 |
1 restraint | Absolute structure: Flack (1983), 0000 Friedel reflections |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.09 (8) |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. The data were collected in the 2/m point group, whereas the refinement proved the structure to be non-centrosymetric with the space group P21. Although the data does not contain large fraction of Friedel-related reflections, the absolute structure could be evaluated using the TWIN instruction, leading to a BASF value of 0.09 (8). Inverting the structure led to a BASF value of 0.91 (8). |
x | y | z | Uiso*/Ueq | ||
Fe1 | 0.28155 (11) | 0.34573 (17) | 0.17844 (6) | 0.0308 (3) | |
Cl1 | 0.7793 (3) | 0.6528 (2) | 0.51669 (13) | 0.0598 (7) | |
Cl2 | 0.4828 (3) | 0.5993 (2) | 0.59449 (12) | 0.0569 (6) | |
Cl3 | 0.3477 (2) | 0.13053 (18) | 0.18581 (12) | 0.0412 (5) | |
Cl4 | 0.1423 (3) | 0.5038 (2) | 0.09003 (13) | 0.0564 (6) | |
O1 | 0.0523 (6) | 0.4075 (6) | 0.3811 (3) | 0.0495 (15) | |
O2 | 0.6774 (7) | 0.5680 (6) | 0.2042 (3) | 0.0546 (16) | |
N1 | 0.4245 (7) | 0.3496 (7) | 0.0782 (3) | 0.0360 (13) | |
N2 | 0.4802 (6) | 0.4413 (6) | 0.2345 (4) | 0.0315 (14) | |
N3 | 0.2407 (7) | 0.3909 (6) | 0.2984 (3) | 0.0317 (15) | |
N4 | 0.0462 (7) | 0.2705 (6) | 0.1772 (4) | 0.0370 (16) | |
C1 | 0.3978 (10) | 0.2858 (8) | 0.0028 (5) | 0.048 (2) | |
H1 | 0.3141 | 0.2293 | −0.0095 | 0.058* | |
C2 | 0.4908 (12) | 0.3017 (9) | −0.0568 (5) | 0.058 (3) | |
H2 | 0.4704 | 0.2571 | −0.1092 | 0.070* | |
C3 | 0.6151 (11) | 0.3849 (9) | −0.0375 (5) | 0.057 (3) | |
H3 | 0.6784 | 0.3997 | −0.0774 | 0.068* | |
C4 | 0.6427 (11) | 0.4439 (9) | 0.0394 (5) | 0.058 (2) | |
H4 | 0.7283 | 0.4981 | 0.0540 | 0.069* | |
C5 | 0.5470 (9) | 0.4260 (7) | 0.0976 (4) | 0.0344 (18) | |
C6 | 0.5755 (9) | 0.4857 (7) | 0.1848 (5) | 0.0344 (17) | |
C7 | 0.4921 (8) | 0.4784 (7) | 0.3213 (4) | 0.0310 (17) | |
C8 | 0.6206 (9) | 0.5377 (8) | 0.3725 (5) | 0.0393 (19) | |
H8 | 0.7087 | 0.5530 | 0.3496 | 0.047* | |
C9 | 0.6197 (9) | 0.5741 (7) | 0.4562 (4) | 0.0367 (18) | |
C10 | 0.4899 (10) | 0.5507 (7) | 0.4912 (5) | 0.0395 (19) | |
C11 | 0.3619 (9) | 0.4872 (7) | 0.4417 (4) | 0.0345 (17) | |
H11 | 0.2763 | 0.4680 | 0.4660 | 0.041* | |
C12 | 0.3618 (8) | 0.4526 (7) | 0.3567 (4) | 0.0288 (16) | |
C13 | 0.0988 (8) | 0.3725 (7) | 0.3169 (4) | 0.0328 (18) | |
C14 | −0.0062 (8) | 0.2983 (7) | 0.2484 (5) | 0.0309 (17) | |
C15 | −0.1544 (9) | 0.2597 (7) | 0.2569 (5) | 0.043 (2) | |
H15 | −0.1924 | 0.2823 | 0.3059 | 0.052* | |
C16 | −0.2423 (9) | 0.1894 (8) | 0.1934 (6) | 0.048 (2) | |
H16 | −0.3404 | 0.1611 | 0.1993 | 0.057* | |
C17 | −0.1876 (9) | 0.1594 (8) | 0.1200 (6) | 0.052 (2) | |
H17 | −0.2485 | 0.1127 | 0.0750 | 0.062* | |
C18 | −0.0397 (9) | 0.2003 (8) | 0.1147 (5) | 0.047 (2) | |
H18 | 0.0005 | 0.1781 | 0.0663 | 0.056* | |
N5 | 0.0617 (7) | 0.8177 (5) | 0.3045 (4) | 0.0368 (16) | |
C51 | 0.2130 (10) | 0.8837 (9) | 0.3039 (6) | 0.060 (3) | |
H51A | 0.2440 | 0.9312 | 0.3579 | 0.072* | |
H51B | 0.1969 | 0.9447 | 0.2564 | 0.072* | |
C52 | 0.3472 (10) | 0.7928 (10) | 0.2941 (7) | 0.075 (3) | |
H52A | 0.3809 | 0.7458 | 0.3472 | 0.112* | |
H52B | 0.4330 | 0.8417 | 0.2820 | 0.112* | |
H52C | 0.3111 | 0.7344 | 0.2471 | 0.112* | |
C53 | 0.0086 (11) | 0.7405 (11) | 0.2224 (5) | 0.067 (3) | |
H53A | −0.0894 | 0.6991 | 0.2249 | 0.081* | |
H53B | 0.0851 | 0.6743 | 0.2200 | 0.081* | |
C54 | −0.0137 (13) | 0.8208 (13) | 0.1381 (6) | 0.099 (4) | |
H54A | −0.0921 | 0.8847 | 0.1389 | 0.149* | |
H54B | −0.0460 | 0.7663 | 0.0885 | 0.149* | |
H54C | 0.0831 | 0.8615 | 0.1346 | 0.149* | |
C55 | −0.0546 (9) | 0.9213 (9) | 0.3122 (6) | 0.058 (2) | |
H55A | −0.0609 | 0.9802 | 0.2639 | 0.069* | |
H55B | −0.0174 | 0.9686 | 0.3656 | 0.069* | |
C56 | −0.2180 (9) | 0.8700 (12) | 0.3125 (6) | 0.079 (3) | |
H56A | −0.2486 | 0.8114 | 0.2650 | 0.119* | |
H56B | −0.2908 | 0.9396 | 0.3061 | 0.119* | |
H56C | −0.2173 | 0.8267 | 0.3665 | 0.119* | |
C57 | 0.0787 (11) | 0.7254 (10) | 0.3793 (6) | 0.064 (3) | |
H57A | 0.1484 | 0.6573 | 0.3698 | 0.077* | |
H57B | −0.0226 | 0.6875 | 0.3789 | 0.077* | |
C58 | 0.1398 (13) | 0.7817 (12) | 0.4681 (6) | 0.091 (4) | |
H58A | 0.2431 | 0.8147 | 0.4708 | 0.136* | |
H58B | 0.1432 | 0.7167 | 0.5116 | 0.136* | |
H58C | 0.0723 | 0.8496 | 0.4785 | 0.136* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Fe1 | 0.0277 (6) | 0.0339 (6) | 0.0312 (5) | −0.0032 (6) | 0.0070 (4) | 0.0001 (5) |
Cl1 | 0.0555 (15) | 0.0695 (16) | 0.0486 (12) | −0.0256 (13) | −0.0025 (10) | −0.0087 (11) |
Cl2 | 0.0628 (15) | 0.0718 (16) | 0.0342 (10) | −0.0035 (13) | 0.0053 (10) | −0.0083 (11) |
Cl3 | 0.0389 (11) | 0.0353 (11) | 0.0510 (11) | −0.0020 (9) | 0.0132 (9) | 0.0039 (9) |
Cl4 | 0.0618 (15) | 0.0574 (14) | 0.0504 (12) | 0.0192 (12) | 0.0123 (11) | 0.0166 (11) |
O1 | 0.036 (3) | 0.071 (4) | 0.047 (3) | 0.000 (3) | 0.021 (3) | −0.006 (3) |
O2 | 0.054 (4) | 0.059 (4) | 0.056 (3) | −0.026 (3) | 0.021 (3) | −0.006 (3) |
N1 | 0.042 (4) | 0.031 (3) | 0.036 (3) | 0.001 (4) | 0.010 (3) | 0.002 (3) |
N2 | 0.027 (3) | 0.030 (3) | 0.040 (3) | −0.007 (3) | 0.011 (3) | −0.004 (3) |
N3 | 0.027 (3) | 0.037 (4) | 0.032 (3) | −0.004 (3) | 0.008 (3) | 0.000 (3) |
N4 | 0.027 (4) | 0.044 (4) | 0.040 (3) | 0.001 (3) | 0.006 (3) | 0.004 (3) |
C1 | 0.063 (6) | 0.046 (5) | 0.038 (4) | −0.009 (5) | 0.015 (4) | −0.002 (4) |
C2 | 0.092 (8) | 0.056 (6) | 0.031 (4) | 0.006 (6) | 0.023 (5) | −0.003 (4) |
C3 | 0.077 (7) | 0.054 (6) | 0.050 (5) | 0.007 (5) | 0.037 (5) | 0.005 (4) |
C4 | 0.069 (6) | 0.054 (6) | 0.062 (6) | −0.014 (5) | 0.039 (5) | 0.002 (5) |
C5 | 0.043 (5) | 0.027 (4) | 0.037 (4) | −0.002 (4) | 0.016 (4) | 0.008 (3) |
C6 | 0.031 (4) | 0.022 (4) | 0.051 (5) | −0.004 (4) | 0.010 (4) | 0.003 (4) |
C7 | 0.031 (4) | 0.026 (4) | 0.034 (4) | 0.000 (3) | 0.005 (3) | 0.002 (3) |
C8 | 0.032 (5) | 0.046 (5) | 0.040 (4) | −0.008 (4) | 0.010 (4) | 0.000 (4) |
C9 | 0.032 (4) | 0.037 (4) | 0.036 (4) | −0.012 (4) | −0.005 (3) | 0.003 (4) |
C10 | 0.044 (5) | 0.037 (4) | 0.034 (4) | 0.005 (4) | 0.003 (4) | 0.000 (4) |
C11 | 0.032 (4) | 0.039 (4) | 0.032 (4) | −0.006 (4) | 0.005 (3) | 0.005 (3) |
C12 | 0.029 (4) | 0.025 (4) | 0.034 (4) | −0.002 (3) | 0.010 (3) | 0.001 (3) |
C13 | 0.032 (4) | 0.028 (5) | 0.042 (4) | −0.002 (3) | 0.015 (3) | 0.004 (3) |
C14 | 0.025 (4) | 0.029 (4) | 0.038 (4) | 0.006 (3) | 0.006 (3) | 0.005 (3) |
C15 | 0.035 (5) | 0.037 (5) | 0.058 (5) | 0.002 (4) | 0.013 (4) | 0.005 (4) |
C16 | 0.018 (5) | 0.047 (5) | 0.076 (6) | 0.000 (4) | 0.003 (4) | 0.013 (5) |
C17 | 0.034 (5) | 0.046 (5) | 0.067 (6) | 0.003 (4) | −0.011 (4) | 0.004 (5) |
C18 | 0.033 (5) | 0.056 (6) | 0.048 (5) | −0.001 (4) | 0.002 (4) | −0.005 (4) |
N5 | 0.025 (3) | 0.030 (4) | 0.056 (4) | −0.006 (3) | 0.011 (3) | −0.002 (3) |
C51 | 0.046 (5) | 0.063 (7) | 0.073 (6) | −0.008 (5) | 0.015 (5) | 0.010 (5) |
C52 | 0.036 (5) | 0.069 (6) | 0.126 (9) | 0.005 (5) | 0.033 (6) | 0.015 (6) |
C53 | 0.048 (7) | 0.079 (7) | 0.073 (6) | 0.004 (5) | 0.009 (5) | −0.016 (6) |
C54 | 0.091 (8) | 0.147 (13) | 0.058 (6) | 0.030 (9) | 0.011 (5) | 0.013 (8) |
C55 | 0.048 (6) | 0.050 (6) | 0.078 (6) | 0.013 (5) | 0.020 (5) | −0.004 (5) |
C56 | 0.036 (5) | 0.101 (9) | 0.107 (7) | 0.011 (6) | 0.031 (5) | 0.007 (7) |
C57 | 0.057 (7) | 0.054 (6) | 0.087 (7) | 0.011 (5) | 0.030 (6) | 0.016 (6) |
C58 | 0.080 (8) | 0.133 (11) | 0.057 (6) | 0.038 (8) | 0.009 (5) | 0.011 (6) |
Fe1—N2 | 2.041 (6) | C4—C5 | 1.373 (10) |
Fe1—N3 | 2.042 (5) | C5—C6 | 1.477 (10) |
Fe1—N4 | 2.202 (6) | C7—C8 | 1.386 (10) |
Fe1—N1 | 2.202 (5) | C7—C12 | 1.394 (9) |
Fe1—Cl3 | 2.324 (3) | C8—C9 | 1.369 (10) |
Fe1—Cl4 | 2.334 (3) | C9—C10 | 1.382 (11) |
Cl1—C9 | 1.727 (7) | C10—C11 | 1.393 (11) |
Cl2—C10 | 1.712 (8) | C11—C12 | 1.382 (9) |
O1—C13 | 1.219 (8) | C13—C14 | 1.481 (10) |
O2—C6 | 1.232 (8) | C14—C15 | 1.390 (10) |
N1—C5 | 1.322 (9) | C15—C16 | 1.344 (11) |
N1—C1 | 1.336 (9) | C16—C17 | 1.372 (11) |
N2—C6 | 1.338 (8) | C17—C18 | 1.382 (11) |
N2—C7 | 1.399 (8) | N5—C51 | 1.495 (9) |
N3—C13 | 1.346 (9) | N5—C57 | 1.503 (10) |
N3—C12 | 1.406 (9) | N5—C53 | 1.510 (10) |
N4—C14 | 1.326 (8) | N5—C55 | 1.510 (9) |
N4—C18 | 1.327 (9) | C51—C52 | 1.544 (12) |
C1—C2 | 1.371 (11) | C53—C54 | 1.544 (13) |
C2—C3 | 1.378 (12) | C55—C56 | 1.528 (11) |
C3—C4 | 1.333 (11) | C57—C58 | 1.505 (13) |
N2—Fe1—N3 | 77.6 (2) | N2—C6—C5 | 112.7 (6) |
N2—Fe1—N4 | 153.1 (2) | C8—C7—C12 | 119.2 (6) |
N3—Fe1—N4 | 75.5 (2) | C8—C7—N2 | 125.2 (6) |
N2—Fe1—N1 | 74.9 (2) | C12—C7—N2 | 115.5 (6) |
N3—Fe1—N1 | 152.5 (2) | C9—C8—C7 | 121.1 (7) |
N4—Fe1—N1 | 132.0 (2) | C8—C9—C10 | 119.9 (7) |
N2—Fe1—Cl3 | 105.86 (19) | C8—C9—Cl1 | 119.7 (6) |
N3—Fe1—Cl3 | 105.56 (19) | C10—C9—Cl1 | 120.3 (6) |
N4—Fe1—Cl3 | 82.89 (19) | C9—C10—C11 | 119.8 (7) |
N1—Fe1—Cl3 | 83.2 (2) | C9—C10—Cl2 | 121.1 (6) |
N2—Fe1—Cl4 | 101.6 (2) | C11—C10—Cl2 | 119.1 (6) |
N3—Fe1—Cl4 | 102.33 (19) | C12—C11—C10 | 120.2 (7) |
N4—Fe1—Cl4 | 82.86 (17) | C11—C12—C7 | 119.8 (6) |
N1—Fe1—Cl4 | 82.35 (18) | C11—C12—N3 | 126.7 (6) |
Cl3—Fe1—Cl4 | 144.22 (9) | C7—C12—N3 | 113.5 (6) |
C5—N1—C1 | 119.4 (6) | O1—C13—N3 | 128.0 (7) |
C5—N1—Fe1 | 113.6 (5) | O1—C13—C14 | 119.6 (6) |
C1—N1—Fe1 | 127.0 (5) | N3—C13—C14 | 112.4 (6) |
C6—N2—C7 | 122.7 (6) | N4—C14—C15 | 120.6 (7) |
C6—N2—Fe1 | 119.9 (5) | N4—C14—C13 | 117.1 (6) |
C7—N2—Fe1 | 116.2 (4) | C15—C14—C13 | 122.3 (7) |
C13—N3—C12 | 122.1 (6) | C16—C15—C14 | 119.4 (8) |
C13—N3—Fe1 | 120.7 (5) | C15—C16—C17 | 120.1 (8) |
C12—N3—Fe1 | 117.0 (4) | C16—C17—C18 | 118.2 (8) |
C14—N4—C18 | 120.1 (7) | N4—C18—C17 | 121.5 (8) |
C14—N4—Fe1 | 113.6 (5) | C51—N5—C57 | 110.9 (6) |
C18—N4—Fe1 | 126.3 (5) | C51—N5—C53 | 111.1 (6) |
N1—C1—C2 | 121.6 (8) | C57—N5—C53 | 106.6 (7) |
C1—C2—C3 | 118.7 (8) | C51—N5—C55 | 106.3 (6) |
C4—C3—C2 | 118.6 (8) | C57—N5—C55 | 111.0 (6) |
C3—C4—C5 | 121.2 (9) | C53—N5—C55 | 111.1 (6) |
N1—C5—C4 | 120.5 (7) | N5—C51—C52 | 114.1 (7) |
N1—C5—C6 | 116.3 (6) | N5—C53—C54 | 113.6 (9) |
C4—C5—C6 | 123.2 (8) | N5—C55—C56 | 113.2 (7) |
O2—C6—N2 | 127.3 (7) | N5—C57—C58 | 115.4 (9) |
O2—C6—C5 | 120.0 (7) | ||
N2—Fe1—N1—C5 | −10.5 (5) | N1—C5—C6—N2 | 6.8 (9) |
N3—Fe1—N1—C5 | −8.2 (9) | C4—C5—C6—N2 | −171.4 (7) |
N4—Fe1—N1—C5 | 167.0 (5) | C6—N2—C7—C8 | −16.5 (10) |
Cl3—Fe1—N1—C5 | −119.0 (5) | Fe1—N2—C7—C8 | 176.2 (6) |
Cl4—Fe1—N1—C5 | 93.8 (5) | C6—N2—C7—C12 | 163.2 (6) |
N2—Fe1—N1—C1 | 170.4 (7) | Fe1—N2—C7—C12 | −4.1 (8) |
N3—Fe1—N1—C1 | 172.7 (6) | C12—C7—C8—C9 | −1.7 (11) |
N4—Fe1—N1—C1 | −12.1 (8) | N2—C7—C8—C9 | 178.0 (7) |
Cl3—Fe1—N1—C1 | 61.9 (6) | C7—C8—C9—C10 | 0.6 (11) |
Cl4—Fe1—N1—C1 | −85.3 (6) | C7—C8—C9—Cl1 | −177.7 (6) |
N3—Fe1—N2—C6 | −163.6 (5) | C8—C9—C10—C11 | 1.7 (12) |
N4—Fe1—N2—C6 | −160.5 (6) | Cl1—C9—C10—C11 | 180.0 (6) |
N1—Fe1—N2—C6 | 15.3 (5) | C8—C9—C10—Cl2 | −178.0 (6) |
Cl3—Fe1—N2—C6 | 93.5 (5) | Cl1—C9—C10—Cl2 | 0.3 (10) |
Cl4—Fe1—N2—C6 | −63.3 (5) | C9—C10—C11—C12 | −2.9 (11) |
N3—Fe1—N2—C7 | 4.0 (5) | Cl2—C10—C11—C12 | 176.8 (6) |
N4—Fe1—N2—C7 | 7.1 (9) | C10—C11—C12—C7 | 1.8 (10) |
N1—Fe1—N2—C7 | −177.0 (5) | C10—C11—C12—N3 | −178.5 (7) |
Cl3—Fe1—N2—C7 | −98.8 (5) | C8—C7—C12—C11 | 0.5 (10) |
Cl4—Fe1—N2—C7 | 104.3 (5) | N2—C7—C12—C11 | −179.2 (6) |
N2—Fe1—N3—C13 | 170.6 (6) | C8—C7—C12—N3 | −179.2 (6) |
N4—Fe1—N3—C13 | −8.0 (5) | N2—C7—C12—N3 | 1.0 (9) |
N1—Fe1—N3—C13 | 168.3 (6) | C13—N3—C12—C11 | 8.7 (10) |
Cl3—Fe1—N3—C13 | −86.2 (5) | Fe1—N3—C12—C11 | −177.3 (6) |
Cl4—Fe1—N3—C13 | 71.2 (5) | C13—N3—C12—C7 | −171.6 (6) |
N2—Fe1—N3—C12 | −3.5 (5) | Fe1—N3—C12—C7 | 2.4 (7) |
N4—Fe1—N3—C12 | 177.9 (5) | C12—N3—C13—O1 | 2.7 (11) |
N1—Fe1—N3—C12 | −5.8 (9) | Fe1—N3—C13—O1 | −171.1 (6) |
Cl3—Fe1—N3—C12 | 99.7 (4) | C12—N3—C13—C14 | −176.3 (6) |
Cl4—Fe1—N3—C12 | −102.9 (4) | Fe1—N3—C13—C14 | 10.0 (8) |
N2—Fe1—N4—C14 | 1.1 (9) | C18—N4—C14—C15 | −3.2 (10) |
N3—Fe1—N4—C14 | 4.2 (5) | Fe1—N4—C14—C15 | 178.7 (5) |
N1—Fe1—N4—C14 | −173.5 (5) | C18—N4—C14—C13 | 177.5 (6) |
Cl3—Fe1—N4—C14 | 112.4 (5) | Fe1—N4—C14—C13 | −0.6 (8) |
Cl4—Fe1—N4—C14 | −100.5 (5) | O1—C13—C14—N4 | 175.3 (7) |
N2—Fe1—N4—C18 | −176.9 (6) | N3—C13—C14—N4 | −5.6 (9) |
N3—Fe1—N4—C18 | −173.8 (6) | O1—C13—C14—C15 | −4.0 (10) |
N1—Fe1—N4—C18 | 8.5 (8) | N3—C13—C14—C15 | 175.1 (6) |
Cl3—Fe1—N4—C18 | −65.6 (6) | N4—C14—C15—C16 | 2.6 (11) |
Cl4—Fe1—N4—C18 | 81.5 (6) | C13—C14—C15—C16 | −178.1 (7) |
C5—N1—C1—C2 | −2.8 (12) | C14—C15—C16—C17 | −1.9 (11) |
Fe1—N1—C1—C2 | 176.2 (6) | C15—C16—C17—C18 | 1.7 (12) |
N1—C1—C2—C3 | 0.5 (13) | C14—N4—C18—C17 | 3.0 (11) |
C1—C2—C3—C4 | 2.0 (13) | Fe1—N4—C18—C17 | −179.1 (6) |
C2—C3—C4—C5 | −2.2 (13) | C16—C17—C18—N4 | −2.3 (12) |
C1—N1—C5—C4 | 2.6 (11) | C57—N5—C51—C52 | 60.6 (9) |
Fe1—N1—C5—C4 | −176.5 (6) | C53—N5—C51—C52 | −57.7 (10) |
C1—N1—C5—C6 | −175.6 (7) | C55—N5—C51—C52 | −178.6 (7) |
Fe1—N1—C5—C6 | 5.3 (8) | C51—N5—C53—C54 | −58.6 (10) |
C3—C4—C5—N1 | −0.1 (13) | C57—N5—C53—C54 | −179.5 (8) |
C3—C4—C5—C6 | 177.9 (8) | C55—N5—C53—C54 | 59.4 (10) |
C7—N2—C6—O2 | −4.7 (11) | C51—N5—C55—C56 | 179.2 (7) |
Fe1—N2—C6—O2 | 162.1 (6) | C57—N5—C55—C56 | −60.1 (9) |
C7—N2—C6—C5 | 176.0 (6) | C53—N5—C55—C56 | 58.3 (9) |
Fe1—N2—C6—C5 | −17.2 (8) | C51—N5—C57—C58 | 55.7 (10) |
N1—C5—C6—O2 | −172.5 (7) | C53—N5—C57—C58 | 176.7 (8) |
C4—C5—C6—O2 | 9.3 (12) | C55—N5—C57—C58 | −62.2 (10) |